cyclooctyl-[(2R)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]azanium

Systemtic Name: cyclooctyl-[(2R)-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]azanium Openeye Name: [(1R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [(2R)-1-[4-(benzenesulfonyl)-1-piperazinyl]-1-oxopropan-2-yl]-cyclooctylammonium IUPAC Name: [(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]-cyclooctylazanium Traditional Name: [(1R)-2-(4-besylpiperazino)-2-keto-1-methyl-ethyl]-cyclooctyl-ammonium Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)[NH2+]C3CCCCCCC3

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)[NH2+]C3CCCCCCC3

InChI

InChI=1S/C21H33N3O3S/c1-18(22-19-10-6-3-2-4-7-11-19)21(25)23-14-16-24(17-15-23)28(26,27)20-12-8-5-9-13-20/h5,8-9,12-13,18-19,22H,2-4,6-7,10-11,14-17H2,1H3/p+1/t18-/m1/s1